4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide

C15H26N2O3S — CID 65048491

IUPAC4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NC(COC)C(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-10-16-21(18,19)14-8-6-13(7-9-14)17-15(11-20-4)12(2)3/h6-9,12,15-17H,5,10-11H2,1-4H3
InChIKeyPWXNZLUEBSZQBQ-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.46
Rot. Bonds9

About 4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide

4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide (PubChem CID 65048491) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide
PubChem CID65048491
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NC(COC)C(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-10-16-21(18,19)14-8-6-13(7-9-14)17-15(11-20-4)12(2)3/h6-9,12,15-17H,5,10-11H2,1-4H3
InChIKeyPWXNZLUEBSZQBQ-UHFFFAOYSA-N
XLogP2.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide
CID 65193254
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
4-[(4-amino-1-methoxybutan-2-yl)amino]-N-ethylbenzenesulfonamide
CID 106154742
CID 57257139
CID 57257139
4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
CID 43383375
4-(2-chloropropyl)-N-propylbenzenesulfonamide
CID 55220389
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide
CID 106244328
4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide
CID 114468845
ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate
CID 61499285

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide (CID 65048491) is 4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(NC(COC)C(C)C)cc1.
What is the InChIKey of 4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide?
The InChIKey is PWXNZLUEBSZQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-10-16-21(18,19)14-8-6-13(7-9-14)17-15(11-20-4)12(2)3/h6-9,12,15-17H,5,10-11H2,1-4H3.
What are the key properties of 4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide?
4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 65048491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).